Results 221 to 230 of about 13,291 (315)

Numerical simulation of velocity gradient scattering waves in visco-acoustic smooth media based on F-K domain integration method. [PDF]

Sci Rep
Ou T, Chen G, Yang Y, Ren C, Wang Z, Lan P, Wu J, Liu H, Rongjie H.   +8 more
europepmc   +1 more source

Machine Learning Accelerated Computational Design of Bio‐Inspired Catalysts in the Nitrogen Reduction Reaction

Advanced Materials, EarlyView.
We introduce a computational workflow that combines quantum chemical calculations and machine learning techniques to predict the catalytic performance of a wide range of catalysts in the nitrogen reduction reaction (NRR). The analysis of the trained models provides insights into the complex structure–activity relationship in experimental catalytic ...
Leonardo Di Ciano, Zihan You, Haoran Chen, Qifan Zhong, Rong‐Zhen Liao, Shaoqi Zhan   +5 more
wiley   +1 more source

Low-Lying Excited States of Linear All-<i>Trans</i> Polyenes: Insights from Analytic Gradient and Nonadiabatic Coupling Calculations Based on Multireference Configuration Interaction. [PDF]

J Chem Theory Comput
Chagas JCV, F Dos Santos LG, do Monte SA, Aquino AJA, Plasser F, Shepard R, Szalay PG, Lischka H, Machado FBC.   +8 more
europepmc   +1 more source

The Complexity of Optimizing over a Simplex, Hypercube or Sphere: A Short Survey

We consider the computational complexity of optimizing various classes of continuous functions over a simplex, hypercube or sphere.These relatively simple optimization problems have many applications.We review known approximation results as well as ...
Klerk, E. de
core  

Ratiometric Mycotoxin Detection in Living Plants With Dual‐Emissive Nanosensors

Advanced Materials, EarlyView.
A minimally invasive microneedle patch integrates carbon dot‐embedded metal–organic frameworks as nanosensors to detect a key fungal toxin in living plants. The nanosensor produces a ratiometric fluorescence signal that enables early, non‐destructive diagnosis of fungal infection before visible symptoms, offering a new biomaterials‐based strategy for ...
Yuliang Li, Di Shen, Ziyang Huang, Suppanat Puangpathumanond, Calvin Thenarianto, Yue Zhao, Jolly Madathiparambil Saju, Rajani Sarojam, Dongmei Zhou, Tedrick Thomas Salim Lew   +9 more
wiley   +1 more source

Optimized continuous small line interpolation algorithm for high end CNC machine tools using a cross segment approach. [PDF]

Sci Rep
Xu Y, Mohd Zaman MH, Zhou F.
europepmc   +1 more source

Tailoring Phonon‐Driven Responses in α‐MoO3 through Isotopic Enrichment

Advanced Materials, EarlyView.
ABSTRACT The implementation of polaritonic materials into nanoscale devices requires selective tuning of parameters to realize desired spectral or thermal responses. One robust material, α‐MoO3, an orthorhombic crystal boasting three distinct phonon dispersions, provides three polaritonic dispersions of hyperbolic phonon polaritons (HPhPs) across the ...
Thiago S. Arnaud, Ryan W. Spangler, Johnathan D. Georgaras, Jonah B. Haber, Daniel Hirt, Maximilian Obst, Gonzalo Álvarez‐Pérez, Mackey Long III, Felix G. Kaps, Jakob Wetzel, Courtney Ragle, John E. Buchner, Youngji Kim, Aditha S. Senarath, Richarda Niemann, Mingze He, Giulia Carini, Unai Arregui‐Leon, Akash C. Behera, Ramachandra Bangari, Nihar Sahoo, Niels C. Brumby, J. Michael Klopf, Martin Wolf, Lukas M. Eng, Susanne C. Kehr, Thomas G. Folland, Alexander Paarmann, Patrick E. Hopkins, Felipe Jornada, Jon‐Paul Maria, Joshua D. Caldwell   +31 more
wiley   +1 more source

Allele Frequency Spectra as a General Tool for Modeling Genetic Diversity. [PDF]

Acta Biotheor
Hössjer O, Laikre L, Ryman N.
europepmc   +1 more source

Super‐Resolution Ultrasound Based Cell Tracking With Polymeric Nanobubbles

Advanced Materials, EarlyView.
This study presents a super‐resolution ultrasound platform for tracking cells in vivo. Biocompatible polymeric nanobubbles are used as highly echogenic intracellular labels. Following the injection of cells and microbubbles, ultrasound localization microscopy (ULM) can dynamically match the microvascular architecture and individual cell trajectories ...
Junlin Chen, Xiaoyu Wang, Jilin Fan, Bi Wang, Hanghang Fang, Yurui Wang, Hao Cui, Mohammad Roufarshbaf, Ekaterina Savina, Alexandra Valeske, Quim Peña, Yang Shi, Andreas Herrmann, Twan Lammers, Mathias Hornef, Roman Barmin, Thomas Lisson, Georg Schmitz, Anne Rix, Fabian Kiessling   +19 more
wiley   +1 more source

Stabilized Radial Basis Function Finite Difference Schemes with Mass Conservation for the Cahn-Hilliard Equation on Surfaces. [PDF]

Entropy (Basel)
Qiao J, Qiao Y, He Y.
europepmc   +1 more source